±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3698  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

azxure

Í­³æ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿MSÖÐ×ÔÐýÔõôÉèÖð¡ ÒÑÓÐ5È˲ÎÓë

ÏÖÔÚÔÚËãfe3o4£¬castepÖй´ÁËspin polarizedºÍuse formal spin as initialºó£¬ÓÅ»¯¼ÆËã×ÜÊÇʧ°Ü£¬ÇëÎÊÊDz»ÊÇ»¹ÒªÉèÖÃÆäËûµÄʲô¶«Î÷°¡£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

azxure

Í­³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Originally posted by tiantian2921 at 2010-05-04 16:49:19:
ÒªÉ趨³õʼ´Å¾Ø£¬use formal spin as initialÕâ¸öÑ¡ÏîÑ¡ÉϺó£¬ÏÂÃæÓиöinitial spin ¿´¿´Èç¹ûÊÇ0£¬¿ÉÄܵ¼ÖÂÈÎÎñʧ°Ü¡£
ÒªÔÚmodify/spins£¨²»Í¬°æ±¾´ËÏî½Ð·¨²»Ò»Ñù£¬¾ÍÊǵÚËĸöÑ¡Ï£¬ÉèÖóõʼ´Å¾Ø

лл»Ø¸´£¬ÎÒÔÙÊÔÊÔ
ÁíÍâÔÙÎÊһϣ¬ÔÚmodify/spinÀïÉèÖúͲ»Ñ¡use formal spin as initialºóÔÚinitial spin ÉèÖÃÓÐʲô²»Í¬Âð
5Â¥2010-05-04 17:29:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

luxia0210

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

GG

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
µ¥Ö¸×ÔÐýµÄ»°Ö»Òª¹´ÉÏspin polarized¾Í¿ÉÒÔÁË£¬ÎÒ¹À¼ÆÊÇÔÚ¼ÆËãµÄʱºòÑ¡µÄÑü¼ÆËãµÄÐÔÖʹý¶àµ¼ÖµÄ
DZÐİÙÄ꣬ΪÇóÒ»°Ü£¡
2Â¥2010-05-04 12:50:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

azxure

Í­³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Originally posted by azxure at 2010-05-04 12:26:48:
ÏÖÔÚÔÚËãfe3o4£¬castepÖй´ÁËspin polarizedºÍuse formal spin as initialºó£¬ÓÅ»¯¼ÆËã×ÜÊÇʧ°Ü£¬ÇëÎÊÊDz»ÊÇ»¹ÒªÉèÖÃÆäËûµÄʲô¶«Î÷°¡£¿

ÎÒÖ»Òª¼ÆËãÄÜ´øºÍ̬ÃܶÈ
²»ÖªµÀÒª²»Òª×Ô¼ºÉèÖÃinitial spinºÍchargeµÄ£¿
3Â¥2010-05-04 12:57:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiantian2921

гæ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒªÉ趨³õʼ´Å¾Ø£¬use formal spin as initialÕâ¸öÑ¡ÏîÑ¡ÉϺó£¬ÏÂÃæÓиöinitial spin ¿´¿´Èç¹ûÊÇ0£¬¿ÉÄܵ¼ÖÂÈÎÎñʧ°Ü¡£
ÒªÔÚmodify/spins£¨²»Í¬°æ±¾´ËÏî½Ð·¨²»Ò»Ñù£¬¾ÍÊǵÚËĸöÑ¡Ï£¬ÉèÖóõʼ´Å¾Ø
4Â¥2010-05-04 16:49:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó»¯Ñ§327Çóµ÷¼Á +3 ÍõÍõ°×ʯ 2026-04-06 4/200 2026-04-06 19:41 by fuyu_
[¿¼ÑÐ] ²ÄÁϹ¤³Ì310ר˶µ÷¼Á +14 ÀÌÀÌÎÒ¡­. 2026-04-04 15/750 2026-04-06 14:18 by lqwchd
[¿¼ÑÐ] Ò»Ö¾Ô¸°²»Õij211 0703»¯Ñ§×Ü·Ö339Çóµ÷¼Á +7 Íí·ç²»Íí 2026-04-04 7/350 2026-04-06 14:06 by houyaoxu
[¿¼ÑÐ] ר˶304ÕÒµ÷¼Á£¬Ò»Ïß³ÇÊÐ×îºÃ +3 ÀîlslÀî 2026-04-05 3/150 2026-04-06 12:16 by ffffjjjj
[¿¼ÑÐ] Ò»Ö¾Ô¸211ÉúÎïѧ280·Ö Çóµ÷¼Á +5 Àîrien 2026-04-05 5/250 2026-04-06 10:30 by zhyzzh
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ085600Çóµ÷¼Á +17 ³ÔµÄ²»ÉÙ 2026-04-05 20/1000 2026-04-06 00:32 by T¿É¿ÉÎ÷ÀïT
[¿¼ÑÐ] Ò»Ö¾Ô¸Çà¿Æ085500£¬³õÊÔ295·Ö£¬¹«¹²¿Î213·Ö +3 Óöµ½µÄÈËÔ¸Íû¶¼Ä 2026-04-05 3/150 2026-04-05 18:45 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-02 13/650 2026-04-04 20:49 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÇóÉúÎïѧµ÷¼Á +14 15172915737 2026-04-01 14/700 2026-04-04 20:13 by babysonlkd
[¿¼ÑÐ] 321Çóµ÷¼Á +6 ÈÏÕæÇóÉÏѧ 2026-04-03 6/300 2026-04-04 19:51 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸085404£¬×Ü·Ö291£¬Ëļ¶Òѹý£¬Çóµ÷¼Á +5 °¢¿¡°¢¿¡°¢¿¡ 2026-04-04 7/350 2026-04-04 13:23 by Á«²Ë¾ÍÊÇź°É
[¿¼ÑÐ] 22408£¬264Çóµ÷¼Á +3 ywh729 2026-04-03 4/200 2026-04-04 11:04 by ywh729
[¿¼ÑÐ] ±¾9Ò»Ö¾Ô¸2 0854µÍ·Öר˶286Çóµ÷¼Á +9 âÖÖ111 2026-04-04 9/450 2026-04-04 11:01 by tangruihua
[¿¼ÑÐ] 297Çóµ÷¼Á +11 ljy20040718£¡ 2026-04-03 13/650 2026-04-04 09:23 by À´¿´Á÷ÐÇÓê10
[¿¼ÑÐ] 357Çóµ÷¼Á +13 1050389037 2026-04-03 13/650 2026-04-03 22:27 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 Àîľ×Ó0120 2026-04-02 5/250 2026-04-02 21:45 by dongzh2009
[¿¼ÑÐ] 0710ÉúÎïѧ£¬325Çóµ÷¼Á +3 mkkkkkl 2026-04-01 3/150 2026-04-02 09:48 by Jaylen.
[¿¼ÑÐ] 286Çóµ÷¼Á +5 Sa67890. 2026-04-01 7/350 2026-04-01 19:50 by 6781022
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©¿¼Ñе÷¼Á +5 Ìúº©º©123425 2026-03-31 5/250 2026-04-01 18:01 by syh9288
[¿¼ÑÐ] 311Çóµ÷¼Á +10 ÀîÜÆÐÂ1 2026-03-31 10/500 2026-04-01 14:38 by chenqifeng666
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û